1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol

C14H22O3 — CID 103448788

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C14H22O3/c1-6-14(4,16)13(15)11-8-7-9(2)10(3)12(11)17-5/h7-8,13,15-16H,6H2,1-5H3
InChIKeyCECQMTXXHFVPLQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.51
Rot. Bonds4

About 1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol

1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol (PubChem CID 103448788) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol
PubChem CID103448788
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C14H22O3/c1-6-14(4,16)13(15)11-8-7-9(2)10(3)12(11)17-5/h7-8,13,15-16H,6H2,1-5H3
InChIKeyCECQMTXXHFVPLQ-UHFFFAOYSA-N
XLogP2.51
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 103432558
2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylpropan-1-ol
CID 103433183
2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol
CID 103433176
1-(2,3-difluoro-4-methylphenyl)-2-methylbutane-1,2-diol
CID 107513044
1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
CID 103433114
1-(2-methoxy-3,4-dimethylphenyl)decan-1-ol
CID 103435642
2-(ethylamino)-1-(2-methoxy-3,4-dimethylphenyl)ethanol
CID 103434593
[2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutyl]hydrazine
CID 103436158
1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol
CID 103448709
1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 103433099
3-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103435571
2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433952

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol (CID 103448788) is 1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol is CCC(C)(O)C(O)c1ccc(C)c(C)c1OC.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol?
The InChIKey is CECQMTXXHFVPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-6-14(4,16)13(15)11-8-7-9(2)10(3)12(11)17-5/h7-8,13,15-16H,6H2,1-5H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol?
1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol has a molecular weight of 238.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol is sourced from PubChem (CID 103448788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).